8-chloro-N-(2-methylpropyl)cinnolin-4-amine

C12H14ClN3 — CID 20873437

IUPAC8-chloro-N-(2-methylpropyl)cinnolin-4-amine
SMILESCC(C)CNc1cnnc2c(Cl)cccc12
InChIInChI=1S/C12H14ClN3/c1-8(2)6-14-11-7-15-16-12-9(11)4-3-5-10(12)13/h3-5,7-8H,6H2,1-2H3,(H,14,16)
InChIKeyPEMGETKKPXYIQZ-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.35
Rot. Bonds3

About 8-chloro-N-(2-methylpropyl)cinnolin-4-amine

8-chloro-N-(2-methylpropyl)cinnolin-4-amine (PubChem CID 20873437) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 8-chloro-N-(2-methylpropyl)cinnolin-4-amine.

Molecular Properties

Compound Name8-chloro-N-(2-methylpropyl)cinnolin-4-amine
PubChem CID20873437
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name8-chloro-N-(2-methylpropyl)cinnolin-4-amine
SMILESCC(C)CNc1cnnc2c(Cl)cccc12
InChIInChI=1S/C12H14ClN3/c1-8(2)6-14-11-7-15-16-12-9(11)4-3-5-10(12)13/h3-5,7-8H,6H2,1-2H3,(H,14,16)
InChIKeyPEMGETKKPXYIQZ-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methylcinnolin-4-amine
CID 6412705
8-Chloro-4-(4-(3-chlorophenyl)piperazin-1-yl)cinnoline
CID 20922966
8-Chloro-4-[4-(3,5-dichloro-4-fluorophenyl)piperazin-1-yl]cinnoline
CID 156552698
8-Chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline
CID 156552874
4-(Azepan-1-yl)-8-chlorocinnoline
CID 20922961
6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)cinnolin-4-amine
CID 121471700
EDJ-MED-50fe53e8-2
CID 156907120
6-Chloro-4-piperidin-1-ylcinnoline
CID 52233024
N'-(8-chloroquinolin-4-yl)ethane-1,2-diamine
CID 100127685
8-Chloro-4-(3,5-dimethylpiperidin-1-yl)cinnoline
CID 20922976
8-Chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline
CID 156552875
8-Chloro-4-(4-methylpiperidin-1-yl)cinnoline
CID 20922965

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-methylpropyl)cinnolin-4-amine?
The IUPAC name of 8-chloro-N-(2-methylpropyl)cinnolin-4-amine (CID 20873437) is 8-chloro-N-(2-methylpropyl)cinnolin-4-amine.
What is the SMILES notation for 8-chloro-N-(2-methylpropyl)cinnolin-4-amine?
The canonical SMILES for 8-chloro-N-(2-methylpropyl)cinnolin-4-amine is CC(C)CNc1cnnc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-N-(2-methylpropyl)cinnolin-4-amine?
The InChIKey is PEMGETKKPXYIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8(2)6-14-11-7-15-16-12-9(11)4-3-5-10(12)13/h3-5,7-8H,6H2,1-2H3,(H,14,16).
What are the key properties of 8-chloro-N-(2-methylpropyl)cinnolin-4-amine?
8-chloro-N-(2-methylpropyl)cinnolin-4-amine has a molecular weight of 235.72 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-methylpropyl)cinnolin-4-amine is sourced from PubChem (CID 20873437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).